[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate

C14H20BrNO3 — CID 174673615

IUPAC[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C[C@@](C)(CO)c1cccc(Br)c1)OC(N)=O
InChIInChI=1S/C14H20BrNO3/c1-13(2,19-12(16)18)8-14(3,9-17)10-5-4-6-11(15)7-10/h4-7,17H,8-9H2,1-3H3,(H2,16,18)/t14-/m0/s1
InChIKeyUGRIRMOJMWJTGM-AWEZNQCLSA-N
MW330.22 g/mol
LogP2.96
Rot. Bonds5

About [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate

[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 174673615) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate
PubChem CID174673615
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)(C[C@@](C)(CO)c1cccc(Br)c1)OC(N)=O
InChIInChI=1S/C14H20BrNO3/c1-13(2,19-12(16)18)8-14(3,9-17)10-5-4-6-11(15)7-10/h4-7,17H,8-9H2,1-3H3,(H2,16,18)/t14-/m0/s1
InChIKeyUGRIRMOJMWJTGM-AWEZNQCLSA-N
XLogP2.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
2-(3-bromophenyl)-3-methoxy-2-(methoxymethyl)propanoic acid
CID 167505619
2-(3-bromophenyl)-1-methoxypropan-2-ol
CID 79566424
methyl 4-amino-3-(3-bromophenyl)-3,4-dimethylpentanoate
CID 66089307
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
2-(3-bromophenyl)-3-ethoxy-2-(methoxymethyl)-3-oxopropanoic acid
CID 113361923
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
1,1-diphenylethyl carbamate
CID 20976713
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035
2-(3-bromophenyl)-2-(prop-2-enylamino)propanoic acid
CID 61341232
3-amino-2,2-bis(3-bromophenyl)propan-1-ol
CID 129196579
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate (CID 174673615) is [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate is CC(C)(C[C@@](C)(CO)c1cccc(Br)c1)OC(N)=O.
What is the InChIKey of [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is UGRIRMOJMWJTGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-13(2,19-12(16)18)8-14(3,9-17)10-5-4-6-11(15)7-10/h4-7,17H,8-9H2,1-3H3,(H2,16,18)/t14-/m0/s1.
What are the key properties of [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate?
[(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 330.22 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(3-bromophenyl)-5-hydroxy-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 174673615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).